smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+]Cc1c(C)sc(C)c1CN(CC)Cc1c(C)sc(C)c1C[NH2+]CC ZINC000003171566 557452878 /nfs/dbraw/zinc/45/28/78/557452878.db2.gz HZOJQOQVKFVBOJ-UHFFFAOYSA-N 2 3 407.693 5.284 10 0 HKAEHP